SCHEMBL6837065

SCHEMBL6837065

COc1ccc2c(c1)-c1nc(-c3cccnc3)[nH]c1CCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 16/20 1.00
CYP11B2 P19099 3/20 0.47
CYP19A1 P11511 3/20 0.46
CYP11B1 P15538 2/20 0.45
CYP17A1 P05093 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6836945 0.88 NPY5R (1.00) NPY5R
SCHEMBL6835529 0.87 NPY5R (1.00) NPY5R
SCHEMBL29440061 0.86 NPY5R (1.00) NPY5R
SCHEMBL6835533 0.81 NPY5R (1.00) NPY5R
SCHEMBL6835590 0.81 NPY5R (1.00) NPY5R
SCHEMBL6835218 0.71 NPY5R (0.55) NPY5RCYP11B2CYP19A1CYP11B1CYP17A1
SCHEMBL15075608 0.69 MAPK13 (0.72) NPY5RCYP11B2CYP19A1CYP11B1CYP17A1
SCHEMBL7365692 0.69 NPY5R (0.57) NPY5RCYP11B2CYP19A1CYP11B1CYP17A1
SCHEMBL6835180 0.69 NPY5R (0.69) NPY5RCYP11B2CYP19A1
SCHEMBL4231855 0.68 CYP19A1 (0.86) CYP11B2CYP19A1CYP11B1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040198791-A1 Fused imidazole derivative FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-10-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040198791-A1 Fused imidazole derivative H1-0, H1-5, H1-3 NPY5R 983/4885CYP11B2 51/4885CYP19A1 410/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.